2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one

C24H23N3O — CID 135418473

IUPAC2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
InChIInChI=1S/C24H23N3O/c28-24-21-8-4-5-9-22(21)25-23(26-24)19-10-11-20(16-19)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,25,26,28)
InChIKeyHYCGKBODUXUFQK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds3

About 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one

2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one (PubChem CID 135418473) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
PubChem CID135418473
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12
InChIInChI=1S/C24H23N3O/c28-24-21-8-4-5-9-22(21)25-23(26-24)19-10-11-20(16-19)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,25,26,28)
InChIKeyHYCGKBODUXUFQK-UHFFFAOYSA-N
XLogP4.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one (CID 135418473) is 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2=CC(N3CC=C(c4ccccc4)CC3)CC2)nc2ccccc12.
What is the InChIKey of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
The InChIKey is HYCGKBODUXUFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c28-24-21-8-4-5-9-22(21)25-23(26-24)19-10-11-20(16-19)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-9,12,16,20H,10-11,13-15H2,(H,25,26,28).
What are the key properties of 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one?
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one has a molecular weight of 369.47 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclopenten-1-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 135418473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).